SCHEMBL29550434

SCHEMBL29550434

CC1(C)CN(C(=O)Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.62
▸ GRIN1 Q05586 18/20 0.59
▸ CYP2C9 P11712 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22802738 1.00 GRIN2B (0.62) GRIN2BGRIN1CYP2C9KCNH2
Trifluoroacetic Acid SCHEMBL22775381 0.97 GRIN2B (0.60) GRIN2BGRIN1CYP2C9KCNH2
Trifluoroacetic Acid SCHEMBL29550631 0.97 GRIN2B (0.60) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775294 0.94 GRIN2B (0.63) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550191 0.94 GRIN2B (0.63) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775595 0.92 GRIN2B (0.73) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550486 0.92 GRIN2B (0.73) GRIN2BGRIN1CYP2C9KCNH2
Trifluoroacetic Acid SCHEMBL29550144 0.90 GRIN2B (0.70) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775405 0.89 GRIN2B (0.59) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550285 0.89 GRIN2B (0.59) GRIN2BGRIN1CYP2C9KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP claimed
EP-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 — — EP disclosed
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